Fenil 1-Propenil Cetona - ≥80% , CAS No.495-41-0

CAS: 495-41-0 Cat. No.: P122944 Peso molecular: 146.19 Beilstein Registry Number: 2039620 Número EC: 207-800-0

GRADE & PURITY ≥80%

Synonyms

Q27288791 | Z2259130553 | 1-Benzoylpropene | 2-Buten-1-one, 1-phenyl- | S8003HHM9W | C13970 | AKOS015888282 | P0216 | MFCD00059386 | (2E)-1-Phenyl-2-buten-1-one | Ethylideneacetophenone | EINECS 207-800-0 | NSC28846 | NSC-28846 | 2-Butenophenone | Crotono

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

Q27288791 | Z2259130553 | 1-Benzoylpropene | 2-Buten-1-one, 1-phenyl- | S8003HHM9W | C13970 | AKOS015888282 | P0216 | MFCD00059386 | (2E)-1-Phenyl-2-buten-1-one | Ethylideneacetophenone | EINECS 207-800-0 | NSC28846 | NSC-28846 | 2-Butenophenone | Crotono

Especificaciones y pureza

≥80%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥80%

Nombres e identificadores

• Pubchem Sid: 504757998
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757998
• Sonrisas canónicas: CC=CC(=O)C1=CC=CC=C1
• IUPAC Name: (E)-1-phenylbut-2-en-1-one
• InChIKey: FUJZJBCWPIOHHN-QHHAFSJGSA-N
• INCHI: 1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
• Isómeros SMILES: C/C=C/C(=O)C1=CC=CC=C1
• WGK Alemania: 3
• Peso molecular: 146.19
• Beilstein: 2039620
• Reaxy-Rn: 1855997
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1855997&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Aryl ketones Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl ketone - Benzoyl - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Índice de refracción: 1.56
• Punto de inflamación (°C): 86 °C
• Punto de ebullición (°C): 122°C/12mmHg
• Peso molecular: 146.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 146.073 Da
• Monoisotopic Mass: 146.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1